5H,6H,11H-indolo[3,2-c]quinolin-6-one

• ChemBase ID: 44685
• Molecular Formular: C15H10N2O
• Molecular Mass: 234.2527
• Monoisotopic Mass: 234.07931295
• SMILES: c12c([nH]c3c2cccc3)c2c([nH]c1=O)cccc2
• Canonical SMILES: O=c1[nH]c2ccccc2c2c1c1ccccc1[nH]2
• InChI: InChI=1S/C15H10N2O/c18-15-13-9-5-1-3-7-11(9)16-14(13)10-6-2-4-8-12(10)17-15/h1-8,16H,(H,17,18)
• InChIKey: KHHVLPFHXHKOEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,11H-indolo[3,2-c]quinolin-6-one
• IUPAC Traditional name: 5H,11H-indolo[3,2-c]quinolin-6-one
• Synonyms: 5,11-Dihydro-6H-indolo[3,2-c]quinolin-6-one

Database IDs

• CAS Number: 18735-98-3
• MDL Number: MFCD00225019
• PubChem SID: 162049448
• PubChem CID: 2784881

CALCULATED PROPERTIES

• Acid pKa: 10.548402
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.7578697
• LogD (pH = 7.4): 2.757592
• Log P: 2.7578733
• Molar Refractivity: 71.6337 cm^3
• Polarizability: 28.889381 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 379 - 381 °C; 379-381°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%